3-[4-methyl-3-(2-methylpiperidin-1-yl)sulfonyl-phenyl]-1H-pyridazin-6-one

Systemtic Name: 3-[4-methyl-3-(2-methylpiperidin-1-yl)sulfonyl-phenyl]-1H-pyridazin-6-one Openeye Name: 3-[4-methyl-3-[(2-methyl-1-piperidyl)sulfonyl]phenyl]-1H-pyridazin-6-one CAS Name: 3-[4-methyl-3-[(2-methyl-1-piperidinyl)sulfonyl]phenyl]-1H-pyridazin-6-one IUPAC Name: 3-[4-methyl-3-(2-methylpiperidin-1-yl)sulfonylphenyl]-1H-pyridazin-6-one Traditional Name: 3-[4-methyl-3-(2-methylpiperidino)sulfonyl-phenyl]-1H-pyridazin-6-one Formula: C17H21N3O3S MolecularWeight: 347.43194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=C(C=CC(=C2)C3=NNC(=O)C=C3)C

Isomeric SMILES

CC1CCCCN1S(=O)(=O)C2=C(C=CC(=C2)C3=NNC(=O)C=C3)C

InChI

InChI=1S/C17H21N3O3S/c1-12-6-7-14(15-8-9-17(21)19-18-15)11-16(12)24(22,23)20-10-4-3-5-13(20)2/h6-9,11,13H,3-5,10H2,1-2H3,(H,19,21)